TL;DR: 12-[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydrobenzo[b]-4,7-phenanthrolin-11(7H)-one (CAS 1015846-21-5) is a chemical compound with molecular formula C25H19FN4O and molecular weight 410.1543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
Also Known As: 12-[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydrobenzo[b]-4,7-phenanthrolin-11(7H)-one, 12-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one, 12-[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one
| Molecular Formula | C25H19FN4O |
| Molecular Weight | 410.1543 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 410.1543 Da |
| Heavy Atoms | 31 |
| Complexity | 741.0 |
| SMILES | C1CC2=C(C(C3=C(N2)C=CC4=C3C=CC=N4)C5=C(NN=C5)C6=CC(=CC=C6)F)C(=O)C1 |
| InChIKey | GJMMZOJATWPTCX-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 12-[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydrobenzo[b]-4,7-phenanthrolin-11(7H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydrobenzo[b]-4,7-phenanthrolin-11(7H)-one. Following Lipinski's Rule of Five, 12-[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydrobenzo[b]-4,7-phenanthrolin-11(7H)-one has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 12-[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydrobenzo[b]-4,7-phenanthrolin-11(7H)-one is 1015846-21-5.
The molecular formula of 12-[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydrobenzo[b]-4,7-phenanthrolin-11(7H)-one is C25H19FN4O.
The molecular weight of 12-[3-(3-Fluorophenyl)-1H-pyrazol-4-yl]-8,9,10,12-tetrahydrobenzo[b]-4,7-phenanthrolin-11(7H)-one is 410.1543 g/mol.
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